(3-methoxy-4-pivaloyloxybenzyl)[2-methoxy-4-(3-pivaloyloxypropyl)-6-(2-propenyl)phenyl] ether | 919764-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (3-methoxy-4-pivaloyloxybenzyl)[2-methoxy-4-(3-pivaloyloxypropyl)-6-(2-propenyl)phenyl] ether
• CAS: 919764-05-9
• 化学式: C₃₁H₄₂O₇
• 分子量: 526.67
• InChiKey: NRUBWBJJSBDNGE-UHFFFAOYSA-N

物化性质

• 沸点：
  588.9±50.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.48
• 重原子数：
  38.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  80.29
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (3-methoxy-4-pivaloyloxybenzyl)[2-methoxy-4-(3-pivaloyloxypropyl)-6-(2-propenyl)phenyl] ether 、 甲醇 在 sodium hydroxide 、 臭氧 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 以90%的产率得到[2-methoxy-6-(methoxycarbonylmethyl)-4-(3-pivaloyloxypropyl)phenyl](3-methoxy-4-pivaloyloxybenzyl) ether
  参考文献：
  名称：

  Synthesis of dihydrodehydrodiconiferyl alcohol and derivatives through intramolecular C–H insertion

  摘要：

  The natural dihydrobenzofuran neolignan I and its derivative 3 have been prepared through intramolecular C-H insertion catalyzed by a Rh(II) chiral complex. Moderate diastereo and enantioselectivities were observed. The cis and trans diastereomers were separated and unambiguously identified. The absolute configurations of the major isomers were established through chiral HPLC analysis and study of the Cotton effects in their circular dichroism curves. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.018
• 作为产物：
  描述：

  三甲基乙酰氯 在 吡啶 、 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基苯胺 、 丙酮 为溶剂， 反应 44.0h， 生成 (3-methoxy-4-pivaloyloxybenzyl)[2-methoxy-4-(3-pivaloyloxypropyl)-6-(2-propenyl)phenyl] ether
  参考文献：
  名称：

  Synthesis of dihydrodehydrodiconiferyl alcohol and derivatives through intramolecular C–H insertion

  摘要：

  The natural dihydrobenzofuran neolignan I and its derivative 3 have been prepared through intramolecular C-H insertion catalyzed by a Rh(II) chiral complex. Moderate diastereo and enantioselectivities were observed. The cis and trans diastereomers were separated and unambiguously identified. The absolute configurations of the major isomers were established through chiral HPLC analysis and study of the Cotton effects in their circular dichroism curves. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.018